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CHEBI:39761 - 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE

Default Structure
ChEBI IDCHEBI:39761
ChEBI Name5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H38N15O19P3
Net Charge0
Average Mass1005.642
Monoisotopic Mass1005.16812
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[C@]1([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[P@@](=O)(O[H])O[C@]2([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])O[C@@]2([H])n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
InChIKeySIIZPVYVXNXXQG-UQTMIEBXSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE (CHEBI:39761) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)PDBeChem
5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINEPDBeChem
Manual XrefsDatabases
25APDBeChem